Home Other Building Blocks 2-benzylidenesuccinic acid

2-benzylidenesuccinic acid

CAS No.:
5653-88-3
Catalog Number:
AG00EJRU
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
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Product Description
Catalog Number:
AG00EJRU
Chemical Name:
2-benzylidenesuccinic acid
CAS Number:
5653-88-3
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
MDL Number:
MFCD03090765
IUPAC Name:
(2Z)-2-benzylidenebutanedioic acid
InChI:
InChI=1S/C11H10O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,13)(H,14,15)/b9-6-
InChI Key:
KYILORDWJFEQBS-TWGQIWQCSA-N
SMILES:
OC(=O)/C(=C\c1ccccc1)/CC(=O)O
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
206.058g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
206.197g/mol
Monoisotopic Mass:
206.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties